4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide

C27H26N6OS — CID 59133113

IUPAC4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
SMILESCc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5cccnc5)CC4)n4ccnc(N)c34)sc12
InChIInChI=1S/C27H26N6OS/c1-16-4-2-5-19-14-21(35-24(16)19)22-23-25(28)30-12-13-33(23)26(32-22)17-7-9-18(10-8-17)27(34)31-20-6-3-11-29-15-20/h2-6,11-15,17-18H,7-10H2,1H3,(H2,28,30)(H,31,34)
InChIKeyOJEMZQIBVIRRFO-UHFFFAOYSA-N
MW482.61 g/mol
LogP5.81
Rot. Bonds4

About 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide

4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide (PubChem CID 59133113) has the molecular formula C27H26N6OS and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
PubChem CID59133113
Molecular FormulaC27H26N6OS
Molecular Weight482.61 g/mol
Exact Mass482.19
IUPAC Name4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
SMILESCc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5cccnc5)CC4)n4ccnc(N)c34)sc12
InChIInChI=1S/C27H26N6OS/c1-16-4-2-5-19-14-21(35-24(16)19)22-23-25(28)30-12-13-33(23)26(32-22)17-7-9-18(10-8-17)27(34)31-20-6-3-11-29-15-20/h2-6,11-15,17-18H,7-10H2,1H3,(H2,28,30)(H,31,34)
InChIKeyOJEMZQIBVIRRFO-UHFFFAOYSA-N
XLogP5.81
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide (CID 59133113) is 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide is Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5cccnc5)CC4)n4ccnc(N)c34)sc12.
What is the InChIKey of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide?
The InChIKey is OJEMZQIBVIRRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6OS/c1-16-4-2-5-19-14-21(35-24(16)19)22-23-25(28)30-12-13-33(23)26(32-22)17-7-9-18(10-8-17)27(34)31-20-6-3-11-29-15-20/h2-6,11-15,17-18H,7-10H2,1H3,(H2,28,30)(H,31,34).
What are the key properties of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide?
4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 59133113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).